{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.44445 0 0 ] "si-unit" "m" "si-value" [ 5.44445e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.167308 5.39053 0 ] "si-unit" "m" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00577721 0.0671422 5.23553 ] "si-unit" "m" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0663122 0.114884 -0.548352 ] [ 1.65266 1.49476 1.67932 ] [ 0.0154179 2.74054 2.60324 ] [ 1.52833 4.11061 4.06642 ] [ 2.73369 0.0515698 2.61947 ] [ 3.80738 1.47511 4.06717 ] [ 2.81179 3.14543 -0.204063 ] [ 4.02065 4.01269 1.26672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.63122e-12 1.14884e-11 -5.48352e-11 ] [ 1.65266e-10 1.49476e-10 1.67932e-10 ] [ 1.54179e-12 2.74054e-10 2.60324e-10 ] [ 1.52833e-10 4.11061e-10 4.06642e-10 ] [ 2.733690000000001e-10 5.15698e-12 2.61947e-10 ] [ 3.807380000000001e-10 1.47511e-10 4.06717e-10 ] [ 2.81179e-10 3.14543e-10 -2.04063e-11 ] [ 4.02065e-10 4.01269e-10 1.26672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2182363 -3.2898928 9.0249079 ] [ -1.6535776 6.49695 -8.435298 ] [ -0.6901049 -0.1483066 2.5246028 ] [ -9.7421658 6.1215277 -12.1136601 ] [ 1.4040653 -3.819227 4.1519166 ] [ 0.7964662 1.2361144 -3.7931517 ] [ 5.2677165 -13.084414 11.2664125 ] [ 7.8358366 6.4872484 -2.62573 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.156182960069895e-09 -5.270989329098251e-09 1.445949644225322e-08 ] [ -2.649323371398574e-09 1.040926139650656e-08 -1.3514837245081e-08 ] [ -1.105669936679522e-09 -2.376133672303373e-10 4.044859582966218e-09 ] [ -1.560867028071733e-08 9.807768564519596e-09 -1.940822300453779e-08 ] [ 2.249560597736538e-09 -6.119076208928121e-09 6.652103708031426e-09 ] [ 1.276079524897417e-09 1.98047359231422e-09 -6.077298972887776e-09 ] [ 8.439812221302403e-09 -2.096354220766821e-08 1.805078270778888e-08 ] [ 1.255439420492896e-08 1.039371771980221e-08 -4.206883218533184e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.348941 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.061348063223857e-18 } }